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Tailoring phase tra...
Tailoring phase transition temperatures in perovskites via A-site vacancy generation
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- Whittle, Thomas A. (författare)
- Univ Sydney, Sch Chem, Sydney, NSW 2006, Australia.
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- Brant, William R. (författare)
- Uppsala universitet,Strukturkemi,Univ Sydney, Sch Chem, Sydney, NSW 2006, Australia.
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- Hester, James R. (författare)
- Australian Nucl Sci & Technol Org, Kirrawee DC, NSW 2253, Australia.
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- Gu, Qinfen (författare)
- Australian Synchrotron, 800 Blackburn Rd, Clayton, Vic 3168, Australia.
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- Schmid, Siegbert (författare)
- Univ Sydney, Sch Chem, Sydney, NSW 2006, Australia.
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Univ Sydney, Sch Chem, Sydney, NSW 2006, Australia Strukturkemi (creator_code:org_t)
- 2017
- 2017
- Engelska.
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Ingår i: Dalton Transactions. - : Royal Society of Chemistry (RSC). - 1477-9226 .- 1477-9234. ; 46:22, s. 7253-7260
- Relaterad länk:
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https://doi.org/10.1...
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https://uu.diva-port... (primary) (Raw object)
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https://pubs.rsc.org...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- The structures across the Sr0.8Ti0.6-xZrxNb0.4O3, 0 <= x <= 0.6, defect perovskite series were investigated using complementary synchrotron X-ray and neutron powder diffraction data. The locations of second order compositional and temperature dependent phase transitions between the high symmetry cubic Pm (3) over barm phase and the lower symmetry tetragonal I4/mcm phase were determined. Deviation of the oxygen x coordinate from the high symmetry value and the B-O-B bond angle from 180 degrees as well as the tetragonal strain squared were each found to be suitable order parameters to monitor the transitions. Tolerance factor calculations confirmed that these A-site deficient perovskites retain a higher symmetry to a lower value than their fully occupied counterparts. Therefore, adjusting vacancy concentrations can be employed as a general strategy to design compounds with specifically tailored phase transition temperatures.
Ämnesord
- NATURVETENSKAP -- Kemi -- Oorganisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Inorganic Chemistry (hsv//eng)
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